(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide

C16H16ClNO3 — CID 837798

IUPAC(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO3/c1-10-5-3-4-6-15(10)21-11(2)16(20)18-13-9-12(17)7-8-14(13)19/h3-9,11,19H,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyLLTRMAKQEBASMT-NSHDSACASA-N
MW305.76 g/mol
LogP3.76
Rot. Bonds4

About (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide

(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide (PubChem CID 837798) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
PubChem CID837798
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H16ClNO3/c1-10-5-3-4-6-15(10)21-11(2)16(20)18-13-9-12(17)7-8-14(13)19/h3-9,11,19H,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyLLTRMAKQEBASMT-NSHDSACASA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2-methylphenoxy)propanamide
CID 3331016
(2S)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 92685331
2-(2-bromo-4-methylphenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 56581617
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 53266580
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-2-(4-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 2204043
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide (CID 837798) is (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide?
The InChIKey is LLTRMAKQEBASMT-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-5-3-4-6-15(10)21-11(2)16(20)18-13-9-12(17)7-8-14(13)19/h3-9,11,19H,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide?
(2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide has a molecular weight of 305.76 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-hydroxyphenyl)-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 837798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).